Monomers
Trichloroethylene
Identifiers
IUPAC name
1,1,2-trichloroethene
InchI
InChI=1S/C2HCl3/c3-1-2(4)5/h1H
InchI Key
XSTXAVWGXDQKEL-UHFFFAOYSA-N
SMILES
ClC=C(Cl)Cl
Canonical SMILES
C(=C(Cl)Cl)Cl
Isomeric SMILES
C(=C(Cl)Cl)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C2HCl3
Heavy Atom Count
5
Molecular Weight
131.389
Exact Molecular Weight
129.9144
Valence Electrons
30
Radical Electrons
0
tPSA
0.0
MolLogP
2.5017
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
6 5 0 0 0 0 0 0 0 0999 V2000
1.7680 0.6754 -0.9503 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.5281 0.3932 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5292 -0.3239 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7489 -0.5892 1.1635 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.6428 -0.9612 -1.6805 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 0.8057 1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
3 5 1 0
2 6 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers